CID 11675244
884033-66-3
Structural Information
- Molecular Formula
- C21H16FN3O3
- SMILES
- C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=NC4=C(N3)C=C(C=C4)F)C(=O)O
- InChI
- InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1
- InChIKey
- NKMPZFCFXCJBEY-GOSISDBHSA-N
- Compound name
- (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 378.12486 | 185.3 |
[M+Na]+ | 400.10680 | 192.4 |
[M-H]- | 376.11030 | 187.9 |
[M+NH4]+ | 395.15140 | 196.0 |
[M+K]+ | 416.08074 | 185.8 |
[M+H-H2O]+ | 360.11484 | 175.4 |
[M+HCOO]- | 422.11578 | 201.1 |
[M+CH3COO]- | 436.13143 | 193.8 |
[M+Na-2H]- | 398.09225 | 188.0 |
[M]+ | 377.11703 | 184.4 |
[M]- | 377.11813 | 184.4 |
Literature stripe
Patent stripe
No patent data available for this compound.